CID 59787

2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate;dimethyl-[2-[2-(3-phenylprop-2-enoyl)phenoxy]ethyl]azanium

Also Known As: ACMC-20m6k2|CTK0I3069|WACAMKPSCTXROY-UHFFFAOYSA-N|2-(2-Dimethylaminoethoxy)chalcone citrate|CHALCONE, 2-(2-DIMETHYLAMINOETHOXY)-, CITRATE|2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxo-butanoate; dimethyl-[2-[2-[(E)-3-phenylprop-2-enoyl]phenoxy]ethyl]azanium

Molecular Formula	C25H29NO9
Molecular Weight	487.18423 g/mol
LogP	-0.62
Topological Polar Surface Area	165.7 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	12
Exact Mass	487.18423
Heavy Atoms	35
Complexity	1018.2

Chemical Identifiers

CAS Number	103734-52-7
SMILES	C[NH+](C)CCOC1=CC=CC=C1C(=O)C=CC2=CC=CC=C2.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-]